Geometry & MOs

Info

ID:	432386
PubChem CID:	135172519
Reduced:	ClO3N6H31C34 (1)
Stoich.:	AB3C6D31E34 (1)
Weight, g/mol:	614.28845
ΔH_f, kcal/mol:	32.73
Dipole, Da:	5.23
IP(EA), eV:	-9.01(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[(1-methyl-5-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC=C1C2NC3=CC(=CC(=C3O2)C#N)CO)C4=C(C(=CC=C4)C5=NN6C=C(C=C(C6=N5)Cl)CN7CC[C@H](C7)O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC=C1C2NC3=CC(=CC(=C3O2)C#N)CO)C4=C(C(=CC=C4)C5=NN6C=C(C=C(C6=N5)Cl)CN7CC[C@H](C7)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):